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(Q82782556)
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English
6-Cyanonaphthalen-2-yl 4-butylbenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
329.3926
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₁₉NO₂
0 references
canonical SMILES
CCCCC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C#N
0 references
Identifiers
InChI
InChI=1S/C22H19NO2/c1-2-3-4-16-5-8-18(9-6-16)22(24)25-21-12-11-19-13-17(15-23)7-10-20(19)14-21/h5-14H,2-4H2,1H3
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InChIKey
PJNTYQMMVSQSSV-UHFFFAOYSA-N
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CAS Registry Number
62622-34-8
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PubChem CID
71384461
1 reference
matched by identifier from
InChIKey
InChIKey
PJNTYQMMVSQSSV-UHFFFAOYSA-N
UniChem compound ID
42186980
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40806720
1 reference
matched by identifier from
InChIKey
InChIKey
PJNTYQMMVSQSSV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20757463
0 references
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